2-[2-[4-(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(6-nitro-2-oxo-chromene-3-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(6-nitro-2-oxochromene-3-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2-keto-6-nitro-chromene-3-carbonyl)piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C28H22N4O7 MolecularWeight: 526.49688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC6=C(C=CC(=C6)[N+](=O)[O-])OC5=O

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC6=C(C=CC(=C6)[N+](=O)[O-])OC5=O

InChI

InChI=1S/C28H22N4O7/c33-25(22-16-18-15-19(32(37)38)7-8-23(18)39-28(22)36)30-12-9-29(10-13-30)11-14-31-26(34)20-5-1-3-17-4-2-6-21(24(17)20)27(31)35/h1-8,15-16H,9-14H2